methyl (E)-10-oxidanylicos-8-en-5,11,14-triynoate

Systemtic Name: methyl (E)-10-oxidanylicos-8-en-5,11,14-triynoate Openeye Name: methyl (E)-10-hydroxyicos-8-en-5,11,14-triynoate CAS Name: (E)-10-hydroxyeicos-8-en-5,11,14-triynoic acid methyl ester IUPAC Name: methyl (E)-10-hydroxyicos-8-en-5,11,14-triynoate Traditional Name: (E)-10-hydroxyeicos-8-en-5,11,14-triynoic acid methyl ester Formula: C21H28O3 MolecularWeight: 328.44522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CCC#CC(C=CCC#CCCCC(=O)OC)O

Isomeric SMILES

CCCCCC#CCC#CC(/C=C/CC#CCCCC(=O)OC)O

InChI

InChI=1S/C21H28O3/c1-3-4-5-6-7-8-11-14-17-20(22)18-15-12-9-10-13-16-19-21(23)24-2/h15,18,20,22H,3-6,11-13,16,19H2,1-2H3/b18-15+